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    AuthorAziz, Saadullah G. (1)
    Cavallo, Luigi (1)
    Jedidi, Abdesslem (1)Minot, Christian (1)Department
    Chemical Science Program (1)
    KAUST Catalysis Center (KCC) (1)
    Physical Sciences and Engineering (PSE) Division (1)Journal
    Chemical Physics Letters (1)
    Publisher
    Elsevier BV (1)
    Subject
    iron (1)
    Metallic clusters (1)phase transition (1)spin magnetic moment (1)View MoreType
    Article (1)
    Year (Issue Date)2017 (1)Item AvailabilityOpen Access (1)

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    Toward better understanding of the support effect: test cases for CO dissociation on Fe n /TiO 2 (110), n=4,5

    Jedidi, Abdesslem; Aziz, Saadullah G.; Cavallo, Luigi; Minot, Christian (Chemical Physics Letters, Elsevier BV, 2017-06-17) [Article]
    The Fischer-Tropsch reaction is initiated by direct CO dissociation for Iron catalyst even though a H-assisted mechanism may be easier on other metals. In the gas phase, the CO dissociation is only favorable for Fe-clusters composed by more than 11 atoms. We show here the remarkable effect of the support TiO2(110), making this dissociation exothermic for Fe4 and Fe5 clusters. The main factor for the CO activation is the electron transfer to the reducible support. The role of the TiO2(110) support is to transform the neutral cluster into a positively charged one for which CO dissociation is easier.
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